Vitas-M small molecule compound

1-[3-(hexylsulfanyl)-6-(4-methoxy-3-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509252
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(c(c1)C)OC)N(c1c2cccc1)C(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H30N4O3S MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3S/c1-5-6-7-10-15-34-26-27-24-23(28-29-26)20-11-8-9-12-21(20)30(18(3)31)25(33-24)19-13-14-22(32-4)17(2)16-19/h8-9,11-14,16,25H,5-7,10,15H2,1-4H3
InChIKey
CGTFNKDEVWCJDK-UHFFFAOYSA-N
Synonyms

1(3(hexylsulfanyl)6(4methoxy3methylphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(4METHOXY3METHYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2METHYLPHENYLMETHYLETHER
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC)C)C(=O)C)N=N1
InChI=1SC26H30N4O3Sc156710153426272423(282926)2011891221(20)30(18(3)31)25(3324)19131422(324)17(2)1619h8911141625H571015H214H3
MFCD03080344
ZINC000002104479
ZINC000002104480

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Available files

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